CID 119634

Einecs 248-839-3

Structural Information

Molecular Formula

C₁₀H₁₆O

SMILES

CC1=CCC(CC1)C2(CO2)C

InChI

InChI=1S/C10H16O/c1-8-3-5-9(6-4-8)10(2)7-11-10/h3,9H,4-7H2,1-2H3

InChIKey

PJGRMBOWSWHGDV-UHFFFAOYSA-N

Compound name

2-methyl-2-(4-methylcyclohex-3-en-1-yl)oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 63
Patents: 152.12012 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	153.12740	132.3
[M+Na]+	175.10934	140.9
[M-H]-	151.11284	140.7
[M+NH4]+	170.15394	149.5
[M+K]+	191.08328	141.4
[M+H-H2O]+	135.11738	126.8
[M+HCOO]-	197.11832	153.1
[M+CH3COO]-	211.13397	179.7
[M+Na-2H]-	173.09479	139.9
[M]+	152.11957	133.8
[M]-	152.12067	133.8

Literature stripe

literature stripe

Patent stripe

patents stripe